[
  {
    "molid": "mol29051",
    "smiles": "CCCCC(CC)COP(=O)(O)CC(CC)CCCC",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[C@H](CC)CO[P@@](=O)(O)C[C@@H](CC)CCCC",
        "std_free_energy": -2.653093099594116,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC[C@H](CC)CO[P@@](=O)([O-])C[C@@H](CC)CCCC",
        "std_free_energy": -10.626099586486816,
        "relative_population": 0.9999999519024809
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.3,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]